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Refs #6383 put goniometer into peaks workspace
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VickieLynch committed Jan 23, 2013
1 parent 8b93b36 commit 8d6d4ad
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Showing 2 changed files with 9 additions and 5 deletions.
12 changes: 7 additions & 5 deletions Code/Mantid/Framework/Crystal/src/LoadIsawPeaks.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -478,6 +478,13 @@ namespace Crystal
// Read the header if necessary
s = readPeakBlockHeader( s , in , run , bankNum , chi , phi ,
omega , monCount );
// Build the Rotation matrix using phi,chi,omega
uniGonio.setRotationAngle("phi", phi);
uniGonio.setRotationAngle("chi", chi);
uniGonio.setRotationAngle("omega", omega);
//Put goniometer into peaks workspace
outWS->mutableRun().setGoniometer(uniGonio, false);


std::ostringstream oss;
oss << "bank" << bankNum;
Expand All @@ -490,11 +497,6 @@ namespace Crystal
// Read the peak
Peak peak = readPeak(outWS, s, in, seqNum, bankName);

// Build the Rotation matrix using phi,chi,omega
uniGonio.setRotationAngle("phi", phi);
uniGonio.setRotationAngle("chi", chi);
uniGonio.setRotationAngle("omega", omega);

// Get the calculated goniometer matrix
Matrix<double> gonMat = uniGonio.getR();

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Original file line number Diff line number Diff line change
Expand Up @@ -26,6 +26,8 @@ void export_IPeaksWorkspace()
.def("getPeak", &IPeaksWorkspace::getPeakPtr, return_internal_reference<>(), "Returns a peak at the given index" )
.def("createPeak", &IPeaksWorkspace::createPeak, return_internal_reference<>(), "Create a Peak and return it")
.def("hasIntegratedPeaks", &IPeaksWorkspace::hasIntegratedPeaks, "Determine if the peaks have been integrated")
.def("getRun", &IPeaksWorkspace::mutableRun, return_internal_reference<>(),
"Return the Run object for this workspace")
;

REGISTER_SINGLEVALUE_HANDLER(IPeaksWorkspace_sptr);
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